Information card for entry 4075588

Structure parameters

• Common name: [Ru(2-t-BuOOC-cyclopentanonato)(PNNP)]PF6
• Formula: C110.22 H110 Cl4.51 F12 N4 O6 P6 Ru2
• Calculated formula: C110.227 H110 Cl4.506 F12 N4 O6 P6 Ru2
• Title of publication: Chiral Ruthenium PNNP Complexes of Non-Enolized 1,3-Dicarbonyl Compounds: Acidity and Involvement in Asymmetric Michael Addition
• Authors of publication: Althaus, Martin; Bonaccorsi, Cristina; Mezzetti, Antonio; Santoro, Francesco
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 3108
• a: 14.9279 ± 0.0011 Å
• b: 16.6872 ± 0.0012 Å
• c: 23.5871 ± 0.0017 Å
• α: 78.051 ± 0.001°
• β: 74.036 ± 0.001°
• γ: 79.288 ± 0.001°
• Cell volume: 5474.5 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No